7-(4-cyano-1,5-diphenyl-1H-pyrazol-3-yl)-3,4-dimethyl-2-(p-tolyl)-2H-pyrazolo-[3,4-d]-pyridazine | 1227951-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7-(4-cyano-1,5-diphenyl-1H-pyrazol-3-yl)-3,4-dimethyl-2-(p-tolyl)-2H-pyrazolo-[3,4-d]-pyridazine
• 英文别名: 3-[3,4-Dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-1,5-diphenylpyrazole-4-carbonitrile
• CAS: 1227951-89-4
• 化学式: C₃₀H₂₃N₇
• 分子量: 481.56
• InChiKey: YJVCIPOENPDRPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  85.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(4-acetyl-5-methyl-1-(p-tolyl)-1H-pyrazol-3-carbonyl)-1,5-diphenyl-1H-pyrazole-4-carbonitrile 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以79%的产率得到7-(4-cyano-1,5-diphenyl-1H-pyrazol-3-yl)-3,4-dimethyl-2-(p-tolyl)-2H-pyrazolo-[3,4-d]-pyridazine
  参考文献：
  名称：

  Synthesis of bipyrazole and 1,3,4-thiadiazole derivatives

  摘要：

  新的肼酰溴与几种 C-亲核物反应，得到相应的双吡唑。在氢氧化钾中用异硫氰酸苯酯处理 3-氰基乙酰基吡唑衍生物，然后用肼酰溴化物处理，可得到相应的吡唑-1,3,4-噻二唑。

  DOI：

  10.3184/030823409x12528547964044

文献信息

• [EN] 2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZINE DERIVATIVES HAVING ACTIVITY AGAINST PAIN<br/>[FR] DÉRIVÉS DE 2-PHÉNYL -2 H-PYRAZOLO [3,4-D] PYRIDAZINE AYANT UNE ACTIVITÉ CONTRE LA DOULEUR
  申请人：ESTEVE LABOR DR

  公开号：WO2018100048A1

  公开（公告）日：2018-06-07

  The present invention relates to 2-phenyl-2H-pyrazolo[3,4-d]pyridazine derivatives of formula (In) having pharmacological activity towards the α2δ subunit, in particular the a28-1 subunit, of the voltage-gated calcium channel, in particular having dual pharmacological activity towards both the a28 subunit, in particular the a28-1 subunit, of the voltage-gated calcium channel and the p-opioid receptor. The present invention also relates to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.

  本发明涉及具有药理活性的2-苯基-2H-吡唑并[3,4-d]吡啶嗪衍生物的公式（In），对α2δ亚基，特别是电压门控钙通道的a28-1亚基，具有药理活性，特别是具有对电压门控钙通道的a28亚基，特别是a28-1亚基，以及p-阿片受体的双重药理活性。本发明还涉及制备这种化合物的工艺、包含它们的药物组合物，以及它们在治疗中的使用，特别是用于疼痛治疗。
• 2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZINE DERIVATIVES HAVING ACTIVITY AGAINST PAIN
  申请人：ESTEVE PHARMACEUTICALS, S.A.

  公开号：US20200190087A1

  公开（公告）日：2020-06-18

  The present invention relates to 2-phenyl-2H-pyrazolo[3,4-d]pyridazine derivatives having pharmacological activity towards the α2δ subunit, in particular the α2δ-1 subunit, of the voltage-gated calcium channel, in particular having dual pharmacological activity towards both the α2δ subunit, in particular the α2δ-1 subunit, of the voltage-gated calcium channel and the μ-opioid receptor. The present invention also relates to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use in therapy, in particular for the treatment of pain.